methyl (1E)-N-[3,5-bis(4-methylphenyl)-1-oxidanidyl-2-phenyl-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate

Systemtic Name: methyl (1E)-N-[3,5-bis(4-methylphenyl)-1-oxidanidyl-2-phenyl-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate Openeye Name: methyl (1E)-N-[1-oxido-2-phenyl-3,5-bis(p-tolyl)-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate CAS Name: (1E)-N-[3,5-bis(4-methylphenyl)-1-oxido-2-phenyl-4H-imidazol-1-ium-2-yl]-1-pyrrolidinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-[3,5-bis(4-methylphenyl)-1-oxido-2-phenyl-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate Traditional Name: (1E)-N-[3-oxido-2-phenyl-1,4-bis(p-tolyl)-3-imidazolin-3-ium-2-yl]pyrrolidine-1-carboximidothioic acid methyl ester Formula: C29H32N4OS MolecularWeight: 484.65558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(N(C2)C3=CC=C(C=C3)C)(C4=CC=CC=C4)N=C(N5CCCC5)SC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(N(C2)C3=CC=C(C=C3)C)(C4=CC=CC=C4)/N=C(\N5CCCC5)/SC)[O-]

InChI

InChI=1S/C29H32N4OS/c1-22-11-15-24(16-12-22)27-21-32(26-17-13-23(2)14-18-26)29(33(27)34,25-9-5-4-6-10-25)30-28(35-3)31-19-7-8-20-31/h4-6,9-18H,7-8,19-21H2,1-3H3/b30-28+